2-[3-[5-amino-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide

C18H16F3N5O2S — CID 151454511

IUPAC2-[3-[5-amino-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide
SMILESCc1ncc(-c2nc(-c3cc(C(O)(C(N)=O)C(F)(F)F)ccc3C)cnc2N)s1
InChIInChI=1S/C18H16F3N5O2S/c1-8-3-4-10(17(28,16(23)27)18(19,20)21)5-11(8)12-6-25-15(22)14(26-12)13-7-24-9(2)29-13/h3-7,28H,1-2H3,(H2,22,25)(H2,23,27)
InChIKeyPHEAANICMACWDL-UHFFFAOYSA-N
MW423.42 g/mol
LogP2.70
Rot. Bonds4

About 2-[3-[5-amino-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide

2-[3-[5-amino-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide (PubChem CID 151454511) has the molecular formula C18H16F3N5O2S and a molecular weight of 423.42 g/mol. Its IUPAC name is 2-[3-[5-amino-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide.

Molecular Properties

Compound Name2-[3-[5-amino-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide
PubChem CID151454511
Molecular FormulaC18H16F3N5O2S
Molecular Weight423.42 g/mol
Exact Mass423.10
IUPAC Name2-[3-[5-amino-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide
SMILESCc1ncc(-c2nc(-c3cc(C(O)(C(N)=O)C(F)(F)F)ccc3C)cnc2N)s1
InChIInChI=1S/C18H16F3N5O2S/c1-8-3-4-10(17(28,16(23)27)18(19,20)21)5-11(8)12-6-25-15(22)14(26-12)13-7-24-9(2)29-13/h3-7,28H,1-2H3,(H2,22,25)(H2,23,27)
InChIKeyPHEAANICMACWDL-UHFFFAOYSA-N
XLogP2.70
TPSA128.01 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.42
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[3-[5-amino-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-hydroxy-5-[5-[4-methyl-6-[[4-(trifluoromethyl)pyridin-2-yl]amino]pyridin-2-yl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-naphthalene-2-carboxamide
CID 70978559
US10738057, Example 34
CID 138619380
US11046658, Example 98
CID 148590503
US11046658, Example 69
CID 149547652
US11046658, Example 92
CID 149886579
US11046658, Example 85
CID 150019963
US11046658, Example 75
CID 150080925
US11046658, Example 86
CID 150175088
US11046658, Example 97
CID 150334031
US11046658, Example 46
CID 150749070
US11046658, Example 84
CID 150780442
US11046658, Example 82
CID 150801951

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-amino-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide?
The IUPAC name of 2-[3-[5-amino-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide (CID 151454511) is 2-[3-[5-amino-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide.
What is the SMILES notation for 2-[3-[5-amino-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide?
The canonical SMILES for 2-[3-[5-amino-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide is Cc1ncc(-c2nc(-c3cc(C(O)(C(N)=O)C(F)(F)F)ccc3C)cnc2N)s1.
What is the InChIKey of 2-[3-[5-amino-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide?
The InChIKey is PHEAANICMACWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N5O2S/c1-8-3-4-10(17(28,16(23)27)18(19,20)21)5-11(8)12-6-25-15(22)14(26-12)13-7-24-9(2)29-13/h3-7,28H,1-2H3,(H2,22,25)(H2,23,27).
What are the key properties of 2-[3-[5-amino-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide?
2-[3-[5-amino-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide has a molecular weight of 423.42 g/mol, XLogP of 2.70, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-amino-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide is sourced from PubChem (CID 151454511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).